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Investigation on influence of antisite defects on electronic structure and optical properties of silicon carbide nanotube

Song Jiu-Xu Yang Yin-Tang Guo Li-Xin Wang Ping Zhang Zhi-Yong

Investigation on influence of antisite defects on electronic structure and optical properties of silicon carbide nanotube

Song Jiu-Xu, Yang Yin-Tang, Guo Li-Xin, Wang Ping, Zhang Zhi-Yong
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  • Received Date:  07 May 2012
  • Accepted Date:  21 June 2012
  • Published Online:  05 December 2012

Investigation on influence of antisite defects on electronic structure and optical properties of silicon carbide nanotube

  • 1. School of Science, Xidian University, Xi’an 710071, China;
  • 2. School of Electronic Engineering, Xi’an Shiyou University, Xi’an 710065, China;
  • 3. Key Laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi’an 710071, China;
  • 4. Information Science and Technology Institution, Northwest University, Xi’an 710127, China
Fund Project:  Project supported by the China Postdoctoral Science Foundation (Grant No. 201104619) and the Fund of Shaanxi Provincial Educational Department, China (Grant No. 2010JK775).

Abstract: Electronic structure and optical properties of a (5, 5) single-walled silicon carbide nanotube are studied with first principles calculation based on density functional theory. Depression and salient are formed near CSi defect and SiC defect in the surface of the nanotube. Defect energy levels are formed near the bottom of conduction band, which results in an n-type conductivity for nanotubes with antisite defects. In dielectric functions parallel and perpendicular to the axis of the nanotube, novel resonance peak is formed from transitions between top of the conduction band and the defect energy level.

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